Nc1ncnc2c1c(I)nn2C1CCCC1
Name: 1-cyclopentyl-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES: Nc1ncnc2c1c(I)nn2C1CCCC1

Molecular Processing

Molecular formula
C10H12IN5
Molecular weight
329.15
Exact mass
329.0137
XLogP
2.13
TPSA
69.62
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.96

Supplementary Information

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